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Compound Detail

CHEMBL4169815

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CN(C)C(=O)c1sc2nc(-c3cccs3)ccc2c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169815
Phase Preclinical
Structure Type MOL
InChI Key NUDMLQYMTQJZBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.31
ALogP
5
HBA
1
HBD
59.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3OS2
MW 303.41
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.43

Literature References

PubMed DOI Target Context # Activities
29733999 10.1016/j.ejmech.2018.04.028 Hepatocyte 1

Data from ChEMBL 36 via Core Engine